• Inelastic Tunneling Processes
• Supported Clusters
• Photoelectron Diffraction
• Medium Energy Ion Scattering
• Photoemission and Inverse Photoemission
• Surface X-Ray Diffraction/X-Ray Standing Wave
• EXAFS/NEXAFS
• Scanning Probe Microscopy
• Vibrational Spectroscopy
• First Principles Simulation: CRYSTAL
• First Principles Simulation: Plane Waves
• NanoStructures and Nanotechnology
• LEED
• Reflection Anisotropy Spectroscopy
• Other Techniques

Inelastic Tunneling Processes

1. G Cabailh, R Lindsay, O Bikondoa, J Roy, J Zegenhagen, G Teobaldi, WA Hofer and G Thornton, Geometric Structure of TiO2(011)(2x1), Phys. Rev. Lett 101 (2008) 185501
2. WA Hofer, G Teobaldi and N Lorente,Creating pseudo-Kondo resonances by field-induced diffusion of atomic hydrogen, Nanotechnology 19 (2008) 305701
3. G Teobaldi, M Penalba, A Arnau, N Lorente and WA Hofer, Including the probe tip in theoretical models of inelastic scanning tunneling spectroscopy: CO on Cu(100)Phys. Rev. B 76 (2007) 235407
4. G Teobaldi, WA Hofer, O Bikondoa, CL Pang, G Cabailh, G Thornton, Modelling STM images of TiO2(110) from first-principles: Defects, water adsorption and dissociation products, Phys. Rev. Lett 73 (2007) 73

Supported Clusters

1. S.J. Carroll, P.D.Nellist, R.E.Palmer and R. Smith Shallow implantation of size-selected Ag clusters into graphite Phys. Rev. Lett. 84 (2000) 2654.
2. J. A. Blackman and S. Brochard Polydispersity exponent in homogeneous droplet growth Phys. Rev. Letts, 84 (2000) 4409

Photoelectron Diffraction

1. R.L. Toomes, R. Lindsay, P. Baumgaumlrtel, R. Terborg, J.-T. Hoeft, A. Koebbel, J. Robinson, D.P. Woodruff, A.M. Bradshaw and R.M. Lambert Structure determination of propyne and 3,3,3-trifluoropropyne on Cu{111} J.Chem. Phys 112 (2000) 7591
2. H.C. Poon, M.D. Pauli, A. Wander and D.K. Saldin Path-reversed photoelectron diffraction from surfaces: Composite layer treatment Physical Review B65 art. no. 134115 2002
3. R.L.Toomes, D.P.Woodruff, M.Polcik , S.Bao, Ph.Hofmann, K-M.Schindler and A.M.Bradshaw, Is PEXAFS Really PhD?, Surf.Sci. 445 (2000) 300-308
R
4. .Terborg, J.T.Hoeft, M.Polcik, R.Lindsay, O.Schaff, A.M.Bradshaw, R.L.Toomes, N.A.Booth, D.P.Woodruff, E.Rotenberg and J.Denlinger, The coverage dependence of the local structure of C on Ni(100): a structural precursor to adsorbate-induced reconstruction' Surf.Sci. 446 (2000) 301-313
5. J-H.Kang, R.L.Toomes, J.Robinson, D.P.Woodruff, O.Schaff, R.Terborg, R.Lindsay, P.Baumgartel and A.M.Bradshaw, The local adsorption geometry of benzene on Ni(110) at low coverage, Surf.Sci. 448 (2000) 23-32
6. P.Baumgartel, R.Lindsay, T.Giessel, O.Schaff A.M.Bradshaw and D.P.Woodruff, Structure determination of ammonia on Cu(111) J.Phys.Chem.B, 104 (2000) 3044-3049
7. R. L. Toomes, J.Robinson, S.M.Driver, D. P. Woodruff, P. Baumgartel, T. Giessel, R. Lindsay, O. Schaff and A. M. Bradshaw, Photoelectron Diffraction Investigation of the Local Adsorption Site of N on Cu(111), J.Phys.:Condens.Matter 12 (2000) 3981-3991
8. R.L.Toomes, R.Lindsay, P.Baumgartel, R.Terborg, J.-T.Hoeft, A.Koebbel, O.Schaff, M.Polcik, J.Robinson, D.P.Woodruff, A.M.Bradshaw and R.M.Lambert, Structure determination of propyne and 3,3,3-trifluoropropyne on Cu(111) J.Chem.Phys. 112 (2000) 7591-7599
9. R.Terborg, M.Polcik, J-T.Hoeft, M.Kittel, M.Pascal, J.H.Kang, C.Lamont, A.M.Bradshaw and D.P.Woodruff, The local adsorption geometry of 2-methyl-pyridine on Cu(110) determined by photoelectron diffraction Surf.Sci. 457 (2000) 1-10
10. R.Terborg, P.Baumgartel, R.Lindsay, O.Schaff, T.Giessel, J.T.Hoeft, M.Polcik, R.L.Toomes, S.Kulkarni A.M.Bradshaw and D.P.Woodruff, The local adsorption geometry of acetylene on Si(100)(2x1), Phys.Rev.B. 61 (2000) 16697-16703
11. M.Pascal, C.L.A.Lamont, P.Baumgartel, R.Terborg, J.T.Hoeft, O.Schaff, M.Polcik, A.M.Bradshaw, R.L.Toomes and D.P.Woodruff, Photoelectron diffraction study of the Ag(110)(2x1)-O reconstruction Surf.Sci. 464 (2000) 83-90
12. M.Kittel, M.Polcik, R.Terborg, J.-T.Hoeft, P.Baumgartel, A.M.Bradshaw, R.L.Toomes, J.-H.Kang and D.P.Woodruff, M.Pascal, C.L.A.Lamont, E.Rotenberg, The structure of oxygen on Cu(100) at low and high coverages Surf.Sci. 470 (2001) 311-324
13. R.Terborg, M.Polcik, R.L.Toomes, P.Baumgartel, J.-T.Hoeft, A.M.Bradshaw and D.P.Woodruff, Photoelectron diffraction determination of the local adsorption geometry of CO on Cu(210) Surf.Sci 473 (2001) 203-212
14. S.Bao R.Lindsay, M.Polcik, A.Theobald, T.Geissel, O.Schaff, P.Baumgartel, R.Terborg, A.M.Bradshaw, N.A.Booth and D.P.Woodruff, Local structure determination for benzene/NO coadsorption on Ni(111) using scanned-energy mode photoelectron diffraction Surf.Sci. 478 (2001) 35-48
15. J.-H.Kang, R.L.Toomes, J.Robinson, D.P.Woodruff, R.Terborg, M.Polcik, J.T.Hoeft, P.Baumgartel and A.M.Bradshaw, The local structure of CO coadsorbed with O on Ni(111): a temperature-dependent study J.Phys.Chem.B 105 (2001) 3701-3707
16. S.M.Driver, J.-T.Hoeft, M.Polcik, M.Kittel, R.Terborg, R.L.Toomes, J.-H.Kang and D.P.Woodruff, Cu(100)c(2x2)-N: a New Type of Adsorbate-Induced Surface Reconstruction J.Phys.Condens.Matter 13 (2001) L601-L606
17. D.P.Woodruff, Chemical-State-Specific Surface Structure Determination Surf.Sci. 482-485 (2001) 49-59
18. J.-T.Hoeft, M.Kittel, M.Polcik , S.Bao, R.L.Toomes, J.-H.Kang, D.P.Woodruff, M.Pascal and C.L.A.Lamont, Molecular Adsorption Bondlengths at Metal Oxide Surfaces: Failure of Current Theoretical Methods Phys.Rev.Lett. 87 (2001) 086101-(1-4)
19. J.T.Hoeft, M.Polcik, M.Kittel, R.Terborg, R.L.Toomes, J.-H.Kang and D.P.Woodruff, Photoelectron diffraction structure determination of Cu(100)c(2x2)-N Surf.Sci. 492 (2001) 1-10
20. M. Pascal, C.L.A. Lamont, M. Kittel, J.T. Hoeft, R. Terborg, M. Polcik, J.H. Kang, R.Toomes and D.P. Woodruff, Quantitative structural determination of the high coverage phase of the benzoate species on Cu(110) Surf.Sci. 492 (2001) 285-293
21. D.P.Woodruff, P.Baumgärtel, J.T.Hoeft, M.Kittel and M.Polcik, Direct methods in photoelectron diffraction; experiences and lessons learnt based on the use of the projection method J.Phys.:Condens.Matter 13 (2001) 10625-10645
22. M.Kittel, J.-T.Hoeft, M.Polcik , S.Bao, R.L.Toomes, J.-H.Kang, D.P.Woodruff, M.Pascal and C.L.A.Lamont, The local adsorption geometry of CO and NH3 on NiO(100) determined by scanned-energy mode photoelectron diffraction Surf.Sci. 499 (2002) 1-14
23. M.Kittel, R.Terborg, M.Polcik, A.M.Bradshaw, R.L.Toomes, D.P.Woodruff and E.Rotenberg, The structure of the Pd(110)(2x1)-CO surface, Surf.Sci. 511 (2002) 34-42
24. M. Pascal, C.L.A. Lamont, M. Kittel, J.T. Hoeft, L. Constant, M. Polcik, A.M. Bradshaw, R.Toomes and D.P.Woodruff, Methyl on Cu(111) structural determination including influence of co-adsorbed iodine Surf.Sci 512 (2002) 173-184
25. R. L. Toomes, M. Polcik, M. Kittel, J.-T Hoeft, D. Sayago, M. Pascal, C. L. A. Lamont and D. P. Woodruff, Structure determination of methanethiolate on unreconstructed Cu(111) by scanned-energy mode photoelectron diffraction Surf.Sci 513 (2002) 437-452
26. M. Kittel, D.I. Sayago, J.T. Hoeft, M. Polcik, M. Pascal, C.L.A. Lamont, R.L. Toomes, and D.P. Woodruff, Quantitative determination of the adsorption structure of carbonate on Ag(110) Surf. Sci 516 (2002) 237-246
27. R.Terborg, M.Polcik, J.T.Hoeft, M.Kittel, D.I.Sayago, R.L.Toomes and D.P.Woodruff, The local adsorption geometry of acetylene on Si(100)(2x1): multiple sites and the role of substrate temperature Phys.Rev.B 66 (2002) 085333-1-15
28. S.Bengio, H.Ascolani, N. Franco, J. Avila, M.C. Asensio, E. Dudzik, I.T. McGovern, T. Giessel, R. Lindsay, A.M. Bradshaw and D.P. Woodruff, Quantitative determination of the adsorption site of the OH radicals in the H2O/Si(100) system Phys.Rev.B 66 (2002) 195322-1-8
29. D.I.Sayago, J.T.Hoeft, M.Polcik, M.Kittel, R.L.Toomes, J.Robinson, D.P.Woodruff, M.Pascal, C.L.A.Lamont, G. Nisbet, Bond Lengths and Bond Strengths in Weak Chemisorption: N2, CO and CO/H on Nickel Surfaces Phys.Rev.Lett. 90 (2003) 116104-1-4
30. J.-H. Kang, R. L. Toomes, M. Polcik, M. Kittel, J.-T Hoeft, V. Efstathiou, D. P. Woodruff and A. M. Bradshaw, Structural investigation of glycine on Cu(100) and comparison to glycine on Cu(110) J.Chem.Phys. 118 (2003) 6059-6071
31. D.I.Sayago, M.Kittel, J.T.Hoeft, M.Polcik, M.Pascal, C.L.A.Lamont, R.L.Toomes, J.Robinson and D.P.Woodruff, The structure of the Ni(100)c(2x2)-N2 surface: a chemical-state-specific scanned-energy mode photoelectron diffraction determination Surf.Sci. 538 (2003) 59-75
32. A.Koebbel, M.Polcik, D.R.Lloyd, I.T.McGovern, O.Schaff, R. Lindsay, A.J.Patchett, A.M.Bradshaw, D.P.Woodruff , Local structure of OH adsorbed on the Ge(001) (2x1) surface using scanned-energy mode photoelectron diffraction Surf. Sci. 540 (2003) 246-254
33. J.T.Hoeft, M.Polcik, D.Sayago, M. Kittel, R. Terborg, R.L. Toomes, J. Robinson, D.P.Woodruff, M.Pascal,G. Nisbet, C.L.A.Lamont, Local adsorption sites and bondlength changes in Ni(100)/H/CO and Ni(100)/CO Surf. Sci. 540 (2003) 441-456
34. S.Bengio, H.Ascolani, N. Franco, J. Avila, M.C. Asensio, A.M. Bradshaw and D.P. Woodruff, Local structure determination of NH2 on Si(111)(7x7) Phys.Rev.B 69 (2004) 125340-1-9
35. M. Polcik, M. Kittel, J.T. Hoeft, R. Terborg, R.L. Toomes and D.P.Woodruff, Adsorption geometry of CN on Cu(111) and Cu(111)/O Surf. Sci. 563 (2004) 159-168
36. D.I. Sayago, M. Polcik, R. Lindsay, J.T. Hoeft, M. Kittel, R.L.Toomes and D.P.Woodruff, Structure determination of formic acid reaction products on TiO2(110) J. Phys. Chem. B 108 (2004) 14316-14323
37. F. Allegretti, M. Polcik, D.I. Sayago, F. Demirors, S. OBrien, G. Nisbet , C.L.A. Lamont and D.P. Woodruff, Can circular dichroism in core level photoemission provide a spectral fingerprint of adsorbed chiral molecules? New J. Phys. 7 (2005) 109
38. D.I. Sayago, M. Polcik, G. Nisbet, C.L.A. Lamont and D.P. Woodruff, Local structure determination of a chiral adsorbate: Alanine on Cu(110), Surf. Sci. 590 (2005) 76-87
39. F. Allegretti, S. OBrien, M. Polcik, D.I. Sayago and D.P. Woodruff, The adsorption bondlength for H2O on TiO2(110): a key parameter for theoretical understanding Phys. Rev. Lett, 95 (2005) 226104-1-4
40. F. Allegretti, D. P. Woodruff, V. Dhanak, C. Mariani, F. Bussolotti, S. D’Addato, Self-assembly of an aromatic thiolate on Cu(100): the local adsorption site Surf. Sci. 598 (2005) 253-262
41. F. Allegretti, S. OBrien, M. Polcik, D.I. Sayago and D.P. Woodruff , Quantitative determination of the local structure of H2O on TiO2(110) using scanned-energy mode photoelectron diffraction Surf. Sci. 600 (2006) 1487-1496
42. D. P. Woodruff, Adsorbate structure determination using photoelectron diffraction, Surf. Sci. Rep. 62 (2007) 1-38
43. G. Nisbet, C.L.A. Lamont, M. Polcik, R. Terborg, D.I. Sayago, J.T. Hoeft, M. Kittel, R.L. Toomes and D.P. Woodruff, Structural analysis of Pt(111)-c(sqrt3 x 5)rect-CO using photoelectron diffraction, Surf. Sci. 601 (2007) 1296-1303
44. E. A. Kroger, D. I. Sayago, F. Allegretti, M. J. Knight, M. Polcik, W. Unterberger, T. J. Lerotholi, K. A. Hogan, C. L. A. Lamont, D. P. Woodruff, A photoelectron diffraction investigation of the structure of the clean TiO2(110)(1x1) surface, Phys. Rev. B 75 (2007) 195413-1-10
45. E. A. Kroger, D. I. Sayago, F. Allegretti, M. J. Knight, M. Polcik, W. Unterberger, T. J. Lerotholi, K. A. Hogan, C. L. A. Lamont, D. P. Woodruff, The structure of the V2O3(0001) surface: a scanned-energy mode photoelectron diffraction study, Surf. Sci. 601 (2007) 3350-3360
46. F. Allegretti, M. Polcik, D.P. Woodruff, Quantitative determination of the local structure of thymine on Cu(110) using scanned-energy mode photoelectron diffraction, Surf. Sci. 601 (2007) 3611-3622
47. E. A. Kroger, D. I. Sayago, F. Allegretti, M. J. Knight, M. Polcik, W. Unterberger, T. J. Lerotholi, K. A. Hogan, C. L. A. Lamont, M. Cavalleri, K. Hermann, D. P. Woodruff, The local structure of OH species on the V2O3(0001) surface: a scanned-energy mode photoelectron diffraction study Surf. Sci. 602 (2008) 1267-1279
48. G. Nisbet, C. L. A. Lamont, M. Polcik, R. Terborg, D. I. Sayago, M. Kittel, J. T. Hoeft, R. L. Toomes, D. P. Woodruff, The local adsorption structure of benzene on Si(001)-(2x1): a photoelectron diffraction investigation, J. Phys.: Condens. Matter, 20 (2008) 304206-1-11
49. F. Allegretti, F. Bussolotti, D. P. Woodruff, V. R. Dhanak, M. Beccari, V. Di Castro, M.G. Betti, C. Mariani, Structure investigation of the Cu(100)c(2x6)-benzenethiolate surface phase Surf.Sci. 602 (2008) 2453-2462
50. M. J. Knight, F. Allegretti, E. A. Kroger, M. Polcik, C. L. A. Lamont, D. P. Woodruff, The adsorption structure of furan on Pd(111), Surf. Sci. 602 (2008) 2524-2531
51. M. J. Knight, F. Allegretti, E. A. Kroger, M. Polcik, C. L. A. Lamont, D. P. Woodruff, A structural study of a C3H3 species coadsorbed with CO on Pd(111), Surf. Sci. 602 (2008) 2743-2751

Medium Energy Ion Scattering

1. DJ Spence, SP Tear, TCQ Noakes, P Bailey Medium energy ion scattering studies of two-dimensional rare-earth Silicides Phys Rev. B 61 (2000)5707
2. D.Brown, P.D.Quinn, D.P.Woodruff, P.Bailey and T.C.Q.Noakes MEIS structural study of the Ni(111)(sqrt3xsqrt3)R30-Pb surface phase, Phys.Rev.B. 61 (2000) 7706-7715
3. D.Brown, D.P.Woodruff, T.C.Q.Noakes and P.Bailey, CN-induced surface layer expansion of Ni(110): a MEIS study, Surf.Sci 476 (2001) L241-L246
4. P.Bailey, T.C.Q.Noakes , C.J.Baddeley , S.P.Tear , D.P.Woodruff Monolayer resolution in medium energy ion scattering, Nucl.Instrum.Methods B 183 (2001) 62-72
5. D.P.Woodruff, D.Brown, P.D.Quinn, T.C.Q.Noakes and P.Bailey , Structure determination of surface adsorption and surface alloy phases using medium energy ion scattering, Nucl.Instrum.Methods B. 183 (2001) 128-139
6. P. Quinn, D. Brown, D. P.Woodruff, T.C.Q Noakes, P. Bailey Structural Analysis of the Ru(0001)(1x1)-O and Ru(0001)(2x1)-O structures by MEIS Surf. Sci. 491 (2001) 208-218
7. D. Brown, P.D. Quinn, D. P. Woodruff, T.C.Q Noakes, P. Bailey Surface and sub-surface segregation at the Pt25Rh75(111) surface: a medium energy ion scattering study Surf. Sci. 497 (2002) 1-12
8. P.D.Quinn, C.Bittencourt, D.Brown, D.P.Woodruff, T.C.Q.Noakes and P.Bailey Tensor LEED and MEIS determination of the Ni(110)c(2x2)-Sn surface structure J.Phys.:Condens.Matter 14 (2002) 665-673
9. P.D.Quinn, D.Brown, D.P.Woodruff, P.Bailey and T.C.Q.Noakes Structual Study of the Adsorption of Sb on Ag(111) using medium energy ion scattering Surf.Sci. 511 (2002) 43-56
10. M.A. Munoz-Marquez, R.E. Tanner and D.P. Woodruff, Surface and subsurface oxide formation on Ni(100) and Ni(111) Surf. Sci .565 (2004) 1-13
11. M.A. Munoz-Marquez, G. Parkinson, P.D. Quinn, M. Gladys, R.E. Tanner, D.P. Woodruff, T.C.Q.Noakes and P.Bailey, N-induced pseudo-(100) reconstruction of Cu(111): one layer or more?, Surf. Sci. 582 (2005) 97-109
12. M.A. Munoz-Marquez, G.S. Parkinson, D.P. Woodruff, A. Hentz, P.L. Grande, G. Schiwietz, T.J. Wood, C. Bonet, S.P. Tear, P. Bailey, T.C.Q. Noakes , Energy loss in medium energy ion scattering: a combined theory and experiment study of the model system Y on Si(111) Phys. Rev. B 72 (2005) 075415-1-10 (Also selected to appear in Virtual Journal of Nanoscale Science & Technology, 12 (2005) issue 8)
13. G. S. Parkinson, M.A. Munoz-Marquez, P.D. Quinn, M. Gladys, D.P. Woodruff, P. Bailey, T.C.Q. Noakes, The methanethiolate-induced pseudo-(100) reconstruction of Cu(111): a medium energy ion scattering structure study Surf. Sci. 598 (2005) 209-217
14. G. S. Parkinson, M. A. Munoz-Marquez, P. D. Quinn, M. J. Gladys, R. E. Tanner, D. P. Woodruff, P. Bailey, T. C. Q. Noakes A medium energy ion scattering study of the structure of the clean TiO2(110)(1x1) surface, Phys. Rev. B 73 (2006) 245409-1-11
15. A. Hentz, G. S. Parkinson, A. Window, P. D. Quinn, D. P. Woodruff, P. L. Grande, G. Schiwietz, P. Bailey, T. C. Q. Noakes, Inelastic Energy Loss in 100 keV H+ Scattering from Single Atoms: Theory and Experiment for K, Rb and Cs Phys. Rev. B 74 (2006) 125408-1-8
16. G. S. Parkinson, A. Hentz, P. D. Quinn, A. J. Window, D. P. Woodruff, P. Bailey, T. C. Q. Noakes, Methylthiolate-induced reconstruction of Ag(111): a medium energy ion scattering study Surf. Sci 601 (2007) 50-57

Photoemission and Inverse Photoemission

1. F. Schedin, L. Hewitt, P. Morrall, V.N. Petrov, G. Thornton and G.Y. Guo, Observation of an exchange-split alloy surface state, Phys. Rev. B61, (2000) 8932-8935 (2000).
2. G.J.Jackson, B.C.C.Cowie, D.P.Woodruff, R.G.Jones, M.S.Kariapper, C.J.Fisher, A.S.Y.Chan and M.Butterfield, Atomic quadrupolar photoemission asymmetry parameters from a solid state measurement, Phys.Rev.Lett. 84 (2000) 2346-2349
3. T. Valla, M. Kralj, A. Siber, M. Milun, P. Pervan , P.D. Johnson and D P. Woodruff , Oscillatory Electron-Phonon Coupling in Ultra-Thin Silver Films on V(100), J.Phys.:Condens.Matter. 12 (2000) L477-482
4. M. Kralj, A. Šiber, P. Pervan, M. Milun, T. Valla, P.D. Johnson and D.P. Woodruff Temperature dependence of photoemission from quantum-well states in Ag/V(100): moving surface - vacuum barrier effects Phys.Rev.B. 64 (2001) 085411-(1-9)
5. J.Lee, C.Fisher, D.P.Woodruff, M.G.Roper, R.G.Jones, B.C.C.Cowie Non-dipole effects in photoemission-monitored X-ray standing wave experiments: characterisation and calibration Surf.Sci. 494 (2001) 166-182
6. M.Milun, P.Pervan and D.P.Woodruff Quantum well structures in thin metal films: simple model physics in reality? Rep.Prog.Phys. 65 (2002) 99-141
7. M.Kralj, P.Pervan, M.Milun, T.Valla, P.D.Johnson, D.P. Woodruff, d-quantum well states in ultra thin silver films on V(100) Phys.Rev.B 68 (2003) 245413-1-8 (Also selected to appear in Virtual Journal of Nanoscale Science & Technology, 8 (2003) issue 26)
8. M. Polcik, F. Allegretti, D.I. Sayago, G. Nisbet , C.L.A. Lamont and D.P. Woodruff, Circular dichroism in core level photoemission from an adsorbed chiral molecule Phys. Rev. Lett. 92 (2004) 236103-1-4
9. D.P.Woodruff, Non-dipole effects in high energy photoemission; identification and quantification using X-ray standing waves Nucl. Instrum. Methods A 547 (2005) 187-195

Surface X-Ray Diffraction/X-Ray Standing Wave

1. A G Norris, C A Lucas, R McGrath, F Schedin, G Thornton, T S Turner and D Norman, A surface anomalous diffraction study of the Ni(100)(3x3)-(Cs+O) system Surf. Rev in press
2. G. Charlton, P.B. Howes, C.A. Muryn, H. Raza, N. Jones, J.S.G. Taylor, C. Norris, R. McGrath, D. Norman, T.S. Turner and G. Thornton, Copper Interface-Induced Relaxation of TiO2(110)1x1, Phys. Rev. B., in press.
3. G. Charlton, S. Brennan, C.A. Muryn, R. McGrath, D. Norman, T.S. Turner and G. Thornton, Surface Relaxation of SrTiO3(001), Surf. Sci. Lett., in press.
4. A.G. Norris, F. Schedin, G. Thornton, V.R. Dhanak, T. S. Turner and R. McGrath, A surface x-ray diffraction study of the Rh(100) (2x2)-O reconstruction, Phys. Rev. B, in press.
5. A. Wander, F. Schedin, P. Steadman, A. Norris, R. McGrath, T. S. Turner, G. Thornton and N. M. Harrison The Stability of Polar Oxide Surfaces submitted Nature submitted
6. G.J.Jackson, D.P.Woodruff, R.G.Jones, N.K.Singh, A.S.Y.Chan, B.C.C.Cowie, V.Formoso, Following Local Adsorption Sites through a Surface Chemical Reaction: CH3SH on Cu(111) Phys.Rev.Lett. 84 119 (2000)
7. M.S.Karriaper, C.Fisher, D.P.Woodruff, B.C.C.Cowie and R.G.Jones, A structural study of methanethiolate adsorbed on Cu(100) J.Phys.:Condens.Matter 12 (2000) 2153-2161
8. G.J.Jackson, S.M.Driver, D.P.Woodruff, B.C.C.Cowie, and R.G.Jones, The structure of the Cu(111)(sqrt7xsqrt7)R19-S surface phase: a new normal-incidence X-ray standing wave study, Surf.Sci. 453 (2000) 183-190
9. G.J.Jackson, S.M.Driver, D.P.Woodruff, N.Abrams, R.G.Jones, M.Butterfield, M.D.Crapper, B.C.C.Cowie, V.Formoso, A structural study of the interaction of SO2 with Cu(111), Surf.Sci. 459 (2000) 231-244
10. I.T.McGovern, A.Koebbel, A.Leslie, E.Dudzik, C.E.J.Mitchell, A.B.McLean, A.Patchett, D.R.T.Zahn, D.A.Evans, D.P.Woodruff and B.C.C.Cowie, X-ray standing wave study of wet-etch sulphur-treated InP(100) surfaces, Appl.Surf.Sci., 166 (2000) 196-200
11. M.T.Butterfield, M.D.Crapper, T.C.Q.Noakes, P.Bailey, G.J.Jackson and D.P.Woodruff, Structure of ultrathin films of Co on Cu(111) from normal-incidence X-ray standing wave and medium-energy ion scattering measurements, Phys.Rev.B 62 (2000) 16984-16994
12. I.G.Shuttleworth, C.J.Fisher, J.J.Lee, R.G.Jones and D.P.Woodruff A NIXSW structural investigation of the (sqrt3xsqrt3)R30-Si surface alloy phase formed by SiH4 reaction with Cu(111) Surf.Sci 491 (2001) L645-L650
13. R.G.Jones, A.S.Y.Chan, S.Turton, G.J.Jackson, N.K.Singh, D.P.Woodruff and B.C.C.Cowie, 1-chloro-2-fluoroethane adsorption on Cu(111): structure and bonding J.Phys.Chem. B 105 (2001) 10600-10609
14. R.G. Jones, I. Shuttleworth, C. J. Fisher, J. J. Lee, S. L. Bastow, R. Ithnin, J. Lüdecke , M. P. Skegg, D.P. Woodruff and B.C.C. Cowie Surface Structure Determination using X-ray Standing Waves Phys.Low Dim. Struct. 11/12 (2001) 1-26
15. C.Fisher, D.P.Woodruff, R.G.Jones, B.C.C.Cowie and V.Formoso Chemical-shift X-ray standing wavefield determination of the local structure of methanethiolate phases on Ni(111) Surf.Sci 496 (2002) 73-86
16. I.G.Shuttleworth, C.J.Fisher, J.J.Lee, R.G.Jones and D.P.Woodruff, A NIXSW structural investigation of the low temperature silyl phase formed by SiH4 reaction with Cu(111) Chem.Phys.Lett 351 (2002) 208-212
17. J.J.Lee, C.J.Fisher, C.Bittencourt, D.P.Woodruff, A.S.Y.Chan and R.G.Jones, A structural study of the interaction of methanethiol with Pt(111) using X-ray standing waves Surf. Sci. 516 (2002) 1-15
18. M.G. Roper, M.P. Skegg, C.J. Fisher, J.J. Lee, V. R. Dhanak, D.P. Woodruff & Robert G. Jones, Atop adsorption site of sulphur head group in gold-thiolate self assembled monolayers Chem. Phys. Lett. 389 (2004) 87-91
19. G.J. Jackson, D.P. Woodruff, A.S.Y. Chan, R.G. Jones, B.C.C. Cowie, The local structure of SO­2 and SO3 on Ni(111) Surf.Sci. 577 (2005) 31-41
20. D.P. Woodruff, Surface structure determination using X-ray standing waves Rep. Prog. Phys. 68 (2005) 743-798
21. Miao Yu, D.P.Woodruff, N. Bovet, C.J. Satterley, K. Lovelock, Robert G. Jones, V. Dhanak, Structure investigation of Ag(111)-CH3 by X-ray standing waves: a case of thiol-induced substrate reconstruction J. Phys. Chem. B 110 (2006) 2164-2170
22. Miao Yu, N. Bovet, Christopher J. Satterley, S. Bengió, Kevin R. J. Lovelock, P. K. Milligan, Robert G. Jones, D. P. Woodruff, V. Dhanak, The True Nature of an Archetypal Self-Assembly System: Mobile Au-thiolate Species on Au(111) Phys. Rev. Lett. 97 (2006) 166102-1-4 (Also selected to appear in Virtual Journal of Nanoscale Science & Technology, 14 (2006) issue 18)
23. E. A. Kroger, F. Allegretti, M. J. Knight, M. Polcik, D. I. Sayago, D. P. Woodruff, V. R. Dhanak, Structural characterisation of ultra-thin VOx films on TiO2(110) Surf. Sci. 600 (2006) 4813-4824
24. Miao Yu, D.P.Woodruff, Christopher J. Satterley, Robert G. Jones, V. R. Dhanak, Structural investigation of the interaction of molecular sulphur with Ag(111), J. Phys. Chem. C 111 (2007) 3152-3162
25. Miao Yu, D.P.Woodruff, C. J. Satterley, Robert G. Jones, V. R. Dhanak, The structure of the pentylthiolate self-assembled monolayer on Ag(111) J. Phys. Chem. C 111 (2007) 10041-10048
26. Miao Yu, H. Ascolani, G. Zampieri, D.P.Woodruff, C. J. Satterley, Robert G. Jones, V. R. Dhanak, The structure of atomic sulfur phases on Au(111) J. Phys. Chem. C 111 (2007) 10904-10914
27. M. S. Kariapper, C. J. Fisher, D. P. Woodruff, A. S. Y. Chan, Robert G. Jones, Structure determination of PF3 adsorption on Cu(100) using X-ray standing waves, Surf. Sci. 602 (2008) 650-659
28. Vlieg, S.M. Driver, P. Goedtkindt, P.J. Knight, W. Liu, J. Luedecke, K.A.R. Mitchell, V. Murashov, I.K. Robinson, S.A. de Vries, D.P. Woodruff, Structure determination of Cu(410)-O using X-ray diffraction and DFT calculations Surf. Sci 516 (2002) 16-32

EXAFS/NEXAFS

1. S P Harte, S Vinton, R Lindsay, K L Haring;kansson, C A Muryn, G Thornton, V R Dhanak, A W Robinson, N Binsted, D Norman and D A Fischer Effect of Multiple Scattering on the S K-edge EXAFS of Ni(110)-c(2x2)-S Surf. Sci 380 (1997) L463
2. P. Finetti, S.J. Murray, J. Mercer, T.K. Johal, A.W. Robinson, V.R. Dhanak, S.P Harte, G. Thornton and R. McGrath, Bonding of potassium in the Ni(100)-(3x3)-(K+O) coadsorption system Surf. Rev. Lett, 4 (1997) 1341-1345 (1997).
3. J.F. Walsh, H.S. Dhariwal, A. Gutierrez-Sosa, P. Finetti, C.A. Muryn, G. Thornton, N.B. Brookes, R.J. Oldman, Probing Molecular Orientation in Corrosion Inhibition via a NEXAFS Study of Benzotriazole and Related Molecules on Cu(100), Surf. Sci., 415, (1998) 423
4. D. Collison, C.D. Garner, J. Grigg, C.M. McGrath, J.F.W. Mosselmans, E. Pidcock, M.D. Roper, J.M.W. Seddon, E. Sinn, P.A. Tasker, G. Thornton, J.F. Walsh and N.A. Young, X-Ray absorption fine structure study of the bound state electronic transitions at the vanadium K and L edges in low symmetry, molecular, vanadium-(iv) and -(v) complexes with oxyoxime and oxyoximate ligands J. Chem. Soc., Dalton Trans., (1998) 2199
5. A.F. Lee, K. Wilson, R.M. Lambert, C.P. Hubbard, R.W. McCabe, R. Hurley and H.S. Gandhi, On the origin of SO2 promotion of propane oxidation over Pt/Al2O3 catalysts Journal of Catalysis 184 (1999) 491
6. S.P. Harte, S.Vinton, T.M. Evans, A.P. Woodhead, C.A. Muryn, S.A. Haycock, P.L. Wincott, V.R. Dhanak, G. Thornton and C.E. Marsden, The initial stages of Cr and Ti growth on SiO2(0001) Surf. Sci. 424, (1998) 179
7. A.P. Woodhead, S.P. Harte, S.A. Haycock, C.A. Muryn, P.L. Wincott, V.R. Dhanak and G. Thornton, Four-fold hollow site for S in a Ni(100) raft on NiO(100), Surf. Sci. 420, (1999) L138
8. R. Lindsay, A. Gutierez-Sosa, G. Thornton, A. Ludviksson, S. Parker and C. T. Campbell, NEXAFS Study of CO Adsorption on ZnO(000-1)-O and ZnO(000-1)-O/Cu, Surf. Sci. 439 (1999) 131
9. T. Evans, A.P. Woodhead, A. Gutierrez-Sosa, G. Thornton, T.J. Hall, A.A. Davis, N.A. Young, P.B. Wells, R.J. Oldman, O. Plashkevych, O. Vahtras, H. Agren and V. Carravetta, Orientation of 10,11-dihydrocinchonidine on Pt(111), Surf. Sci.436, (1999) L691
10. A.Gutierrez-Sosa, J.F. Walsh, R. Lindsay, P.L. Wincott and G. Thornton, Carbonate Co-adsorption Geometry on TiO2(110)1x1-Na, Surf. Sci. 435, (1999) 538
11. J.J. Cowell, A.K. Santra, R. Lindsay, A. Baraldi, A. Goldoni and R.M. Lambert Heterogeneous alkene epoxidation without the use of silver: the bonding and reactivity of styrene on Cu{110} Surface Science 437 (1999) 1
12. S. Tomic, B. G. Searle, A. Wander, N. M. Harrison, A. Dent and J. Inglesfield The DL_EXCURV Package DL Technical Report DL-TR-2005-001 (2005)

Scanning Probe Microscopy

1. D. P.C. Bird, C.M.C de Castilho and R.M. Lambert Catalyst genesis studied by atomic force microscopy Surf. Sci. 449 (2000) L221.
2. A.Richter, R. Ries, R. Smith, M. Henkel and B. Wolf Nanoindentation of diamond, graphite and fullerene films Diamond and related Materials 9(2) (2000) 170
3. ,R.A. Fellows, A.R. Lennie, H. Raza, C.L. Pang, G. Thornton and D.J. Vaughan, Fe3O4(111) formation on a reduced Fe2O3(11-23) susbstrate: A low energy electron diffraction and scanning tunneling microscopy study Surf. Sci 445, (2000) 11-17
4. C.L. Pang, H. Raza, S.A. Haycock and G. Thornton Imaging reconstructed TiO2 surfaces with non contact atomic force microscopy, Appl. Surf. Sci 157, (2000) 233
5. A, F. Lee, K. Wilson and R.M. Lambert Structure and stability of the platinum/aluminium interface: alloying and vacancy formation on Pt{111} Al Surface Sci. 446 (2000) 145.
6. C.L. Pang, H. Raza, S.A. Haycock and G. Thornton, Growth of Cu and Pd on a-Al2O3(0001), Surf. Sci. Lett. in press
7. S.M.Driver and D.P.Woodruff, Scanning Tunnelling Microscopy Study of the Interaction of Dimethyl disulphide with Cu(111), Surf.Sci. 457 (2000) 11-23
8. S.M.Driver and D.P.Woodruff, Adsorption structures of 1-octanethiol on Cu(111) studied by scanning tunnelling microscopy, Langmuir, 16 (2000) 6693-6700
9. S.M.Driver and D.P.Woodruff, A new pseudo-(100)-S reconstruction of Cu(111) observed by scanning tunnelling microscopy Surf.Sci 479 (2001) 1-10
10. S.M.Driver and D.P.Woodruff, Methanethiolate structural phases on Cu(100) and Cu(410) Surf.Sci. 488 (2001) 207-218
11. S.M.Driver and D.P.Woodruff Nitrogen adsorption structures on Cu(100) and the role of a symmetry-lowering surface reconstruction in the c(2x2)-N phase Surf.Sci 492 (2001) 11-26
12. S.M. Driver and D.P. Woodruff, Nitrogen-induced nanometre-scale faceting of Cu(410) Surf. Sci. 560 (2004) 35-44
13. Miao Yu, S.M. Driver and D.P. Woodruff, Scanning tunnelling microscopy investigation of the structure of methanethiolate on Ag(111) Langmuir 21 (2005) 7285-7291
14. G. Kyriakou, F.J. Williams, M.S. Tikhov, A. Wander, and R.M. Lambert Structure and dynamics of gold atomic chains grown on Cu(110): experiment and theory Phys Rev B72 121408 (2005)

Vibrational Spectroscopy

1. H M Tutuncu and G P Srivastava, Atomic geometry, electronic states and vibrational properties of the AlAs(110) surface, Surf Sci in press
2. Z. Chang and G. Thornton, Reactivity of thin film TiO2(110), Surf. Sci. in press
3. Z. Chang and G. Thornton, Effect of Pd on the interaction of formic acid with TiO2(110), Surf. Sci. in press.
4. H M Tutuncu, S C A Gay and G P Srivastava, Phonon dynamics of Si(001)/Bi(2X1), Surf Sci (in press)
5. H M Tutuncu, R Miotto and G P Srivastava, Phonons on II-VI(110) surfaces, Phys Rev B 62 (2000) 15797
6. H M Tutuncu and G P Srivastava, Electronic and vibrational properties of the As:InP(110) and Sb:InP(110) surfaces, Phys Rev B 65 (2002) 035319
7. H M Tutuncu, R Miotto, G P Srivastava and J S Tse, Phonons on GaN(110), Appl Phys Lett 80 (2002) 3322
8. H M Tutuncu, G P Srivastava and J S Tse, A study of structural and dynamical properties of a manolayer of GaAs on Si(110), Phys Rev B 66 (2002) 195305
9. S. Thachepan, H. Okuyama, T. Aruga, M. Nishijima, T. Ando, S Bagci, H M Tutuncu and G P Srivastava, Phys Rev B 68 (2003) 033310
10. S Ugur, H M Tutuncu, G P Srivastava and I Akgun, First-principles study of surface phonons on the AlN(110) surface, Surf Sci 966 (2004) 904
11. H M Tutuncu, S Bagci and G P Srivastava, Structural, electronic and dynamical properties of the C(001)-(2x1) surface, Phys Rev B 70 (2004) 195
12. H M Tutuncu, S Bagci, G P Srivastava, A T Albudak and G Ugur, Structural and dynamical properties of the zinc-blende GaN, AlN, BN and their (110) surfaces, Phys Rev B 71 ((2005) 195309
13. H M Tutuncu, S Duman, S Bagci and G P Srivastava, Investigations of atomic vibrations on the alpha-Sn(001)(2x1) surface by a linear response scheme and an adiabatic bond-charge model, Phys Rev B 72( (2005) 085327
14. H M Tutuncu and G P Srivastava, Phonon pectrum and density of states on GaAs(001)-beta_2(2x4), Phys. Rev. B 76( (2007) 085345
15. H M Tutuncu and G P Srivastava,Theoretical studies of electronic states and phonon modes on the TiC(001)(1x1) surface, Surf Sci 601( (2007) 4025
16. S Bagci, H M Tutuncu and G P Srivastava, Ab initio} calculations of structural, electronic and dynamical properties of BeSe(110) surface, Surf Sci 601 ((2007) 4087

First Principles Simulation: CRYSTAL

1. J. Muscat, N.M. Harrison, The physical and electronic structure of the rutile (001) surface, surface Science446 (2000) 119
2. K. Doll, N. M. Harrison Chlorine adsorption on the Cu(111) surface Chem. Phys. Letters 317 (2000) 282
3. A. Wander, and N.M. Harrison An ab-initio study of ZnO(11-20) Surface Science 468 L851 (2000)
4. A. Wander, B.G. Searle, and N.M. Harrison An ab initio study of alpha-Al2O3(0001): the effects of exchange and correlation functionals Surface Science 458 25 (2000)
5. A. Wander, and N.M. Harrison An ab initio study of ZnO(10-10) Surface Science 457 L342 (2000)
6. A. Wander and N.M. Harrison
7. K. Doll, N.M. Harrison Theoretical study of chlorine adsorption on the Ag(111) surface, Phys. Rev. B 63 1098 (2001) The stability of polar oxide surfaces: The interaction of H2O with ZnO(0001) and ZnO(000-1) Journal of Chemical Physics 115 2312 (2001)
8. J. Muscat, A. Wander and N.M. Harrison
9. N.M. Harrison First principles simulation of surfaces and interfaces Comput. Phys. Comm. 137 59 (2001) On the prediction of band gaps from hybrid functional theory Chemical Physics Letters 342 397 (2001)
10. A. Wander and N.M. Harrison An ab initio study of hydrogen adsorption on ZnO(10-10) Journal of Physical Chemistry B105 6191 (2001)
11. J.R.B. Gomes, I.D.R. Moreira, P. Reinhardt, A. Wander, B.G. Searle, N.M. Harrison and F. Illas The structural relaxation of the alpha-Al2O3(0001) - an investigation of potential errors Chemical Physics Letters 341 412 (2001) P.J.D. Lindan and N.M. Harrison The structure of the reduced rutile TiO2(100) 1 x 3 reconstruction Surf. Sci. 479 L375 (2001)
12. A. Wander, F. Schedin, P. Steadman, A. Norris, R. McGrath, T.S. Turner, G. Thornton, and N.M. Harrison Stability of polar oxide surfaces Physical Review Letters 86 3811 (2001)
13. J.R.B. Gomes, F. Illas, N.C. Hernandez, J.F. Sanz, A. Wander and N.M. Harrison Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001) Journal of Chemical Physics 116 (2002) 1684
14. D. Dominguez-Ariza, C. Sousa N.M. Harrison et al Effect of the surface model on the theoretical description of the chemisorption of atomic hydrogen on Cu(001) Surf. Sci.522 185 (2003)
15. A. Wander, I.J. Bush and NM Harrison Stability of rocksalt polar surface: An ab initio study of MgO(111) and NiO(111) Physical Review B68 art no 233405 (2003)
16. The structure of highly defective ZnO (10-10) Surface Science 529 L281 2003
17. R. Lindsay, E. Michelangeli, B.G. Daniels et al Surface to bulk charge transfer at an alkali metal/metal oxide interface Surf. Sci. 547 859 (2003)
18. C.L. Bailey, A. Wander, B.G.Searle and N.M. Harrison Implementation of Nudged Elastic Band in CRYSTAL DL Technical Report DL-TR-2005-003 (2005)
19. A. Wander, B. G. Searle, C. L. Bailey and N. M. Harrison The Composition and Structure of the alpha-AlF3(0001) Surface J. Phys. Chem. B 109 (2005) 22935
20. A. Wander, C. L. Bailey, B. G. Searle, S. Mukhopadhyay and N. M. Harrison Identification of Possible Lewis Acid Sites on the beta-AlF3(100) Surface; An ab initio Total Energy Study. Phys. Chem. Chem. Phys. 7 (2005) 3989
21. S. Tomic, B. Montanari and N.M. Harrison, The group III-Vs semiconductor energy gaps predicted by B3LYP hybrid functional, Physica E, 40, (2008) 2125
22. R. Lindsay, A. Wander, A. Ernst et al Revisiting the surface structure of TiO2(110): A quantitative low-energy electron diffraction study Phys. Rev. Lett. 94 (2005)
23. I.D. Gay and N.M. Harrison A density functional study of water and methanol chemisorption on MgO(110) Surf. Sci. 591 13 (2005)
24. A. Wander, C.L. Bailey, S. Mukhopadhyay et al Ab initio studies of aluminium fluoride surfaces J. Mater. chem. 16 1906 (2006)
25. J. Scaranto, G. Mallia, S. Giorgianni et al A quantum-mechanical study of the vinyl fluoride adsorbed on the rutile TiO2(110) surface Surf. Sci. 600 305 (2006)
26. J.K. Murthy, U. Gross, S. Rudiger et al Aluminum chloride as a solid is not a strong Lewis acid J. Phys. Chem. B 110 8314 (2006)
27. C.L. Bailey, A. Wander, S. Mukhopadhyay et al Adsorption of HF and HCl on the beta-AlF3 (100) surface Phys. Chem. Chem. Phys. 10 2918 (2008)
28. M. Habgood and N.M. Harrison An ab initio study of oxygen adsorption on tin dioxide Surf. Sci. 602 1072 (2008)
29. A. Wander, C.L. Bailey, S. Mukhopadhyay et al Steps, microfacets, and crystal morphology: An ab initio study of beta-AlF3 surfaces J. Phys. Chem. C 112 6515 (2008)
30. C.L. Bailey, A. Wander, S. Mukhopadhyay et al Characterization of Lewis acid sites on the (100) surface of beta-AlF3: Ab initio calculations of NH3 adsorption J. Chem. Phys. 128 (2008)
31. C.L. Bailey, S. Mukhopadhyay, A. Wander et al Structure and Stability of alpha-AlF3 Surfaces J. Phys. Chem. C 113 4976 (2009)

First Principles Simulation: Plane Waves

1. R Miotto, G P Srivastava and A C Ferraz, Structure of Zn adsorption on GaAs(001)-(2X4), Appl Phys Lett (in press).
2. R Miotto, G P Srivastava and A C Ferraz, III--N(110) Surface Relaxation and its Dependence on the Chemical Bonding, Solid State Commun (in press)
3. R Miotto, G P Srivastava and A C Ferraz, Effects of gradient and non-linear core corrections on structural and electronic properties of GaN bulk and (001) surfaces, Physica B (in press)
4. M Cakmak, S C A Gay and G P Srivastava, Structure and energetics of segregated and nonsegregated H:Ge(001)/Si and Cl:Ge(001)/Si, Surf Sci (in press).
5. S C A Gay, M Cakmak and G P Srivastava, Comparative study of Bi overlayers on III-Sb(110(1X1) surfaces, Surf Sci (in press).
6. R Miotto, A C Ferraz and G P Srivastava, Dissociative adsorption of NF₃ on Si(001)-(2X1) Surf Sci (in press).
7. G P Srivastava, Theoretical modelling of semiconductor surfaces and interfaces, Vacuum (in press)
8. M Cakmak and G P Srivastava, Dissociative adsorption of Si₂H₆ on the Si(001) surface, Phys Rev B 61 (2000) 10216
9. S C A Gay and G P Srivastava, Ab Initio Investigation Of Bi Covered GaSb(110) Surfaces, Phys Rev B 61 (2000) 2688
10. G. Kyriakou, F.J. Williams, M.S. Tikhov, A. Wander, and R.M. Lambert Structure and dynamics of gold atomic chains grown on Cu(110): experiment and theory Phys Rev B72 121408 (2005)
11. D.P.Woodruff and J.Robinson Sb-induced surface stacking faults at Ag(111) and Cu(111) surfaces: Density-functional theory results J.Phys.:Condens.Matter 12 (2000) 7699-7704
12. J.Robinson and D.P.Woodruff The local adsorption geometry of CH3 and NH3 on Cu(111): a density-functional theory study Surf.Sci. 498 (2002) 203-211
13. D.P.Woodruff and J.Robinson, Some structural issues in surface alloys and alloy surfaces: rumpling, stacking faults and disorder Appl.Surf.Sci. 219 (2003) 1-10
14. J.Robinson and D.P.Woodruff, The structure and bonding of carbonate on Ag(110): a density-functional theory study Surf. Sci. 556 (2004) 193-202
15. M.J. Harrison, D.P.Woodruff and J.Robinson, Surface alloys, surface rumpling and surface stress Surf. Sci. 572 (2004) 309-317
16. M.J. Knight, J. Robinson and D.P. Woodruff, Density functional theory analysis of the Ni(110)c(2x2)-CN surface phase, Surf. Sci. 580 (2005) 145-152
17. M.J. Harrison, D.P.Woodruff and J.Robinson, Alloying-induced surface stress change in Cu(100)c(2x2)-Mn Phys. Rev. B 72 (2005) 113408-1-3 (Also selected to appear in Virtual Journal of Nanoscale Science & Technology, 12 (2005) issue 13)
18. M.J. Harrison, D.P. Woodruff and J. Robinson, Density functional theory investigation of CN on Cu(111) and Ni(111) Surf. Sci. 600 (2006) 340-347
19. M. J. Harrison, D. P. Woodruff and J. Robinson, Density Functional Theory Investigation of the Structure of SO2 and SO3 on Cu(111) and Ni(111) Surf. Sci. 600 (2006) 1827-1836
20. M.J. Harrison, D.P. Woodruff, J. Robinson, D. Sander, W. Pan, J. Kirschner, Adsorbate-induced surface reconstruction and surface stress changes in Cu(100)/O: experiment and theory Phys. Rev. B 74 (2006) 165402-1-7 (Also selected to appear in Virtual Journal of Nanoscale Science & Technology, 14 (2006) issue 16)
21. M.J. Harrison, D.P. Woodruff, J. Robinson, Density functional theory calculations of adsorption-induced surface stress changes, Surf. Sci. 602 (2008) 226-234

NanoStructures and Nanotechnology

1. H. Ness and A.J. Fisher. Electron transport in molecular wires mediated via polarons and solitons: coherent electron-phonon interaction. Electronic correlations---from meso- to nano-physics (Proceedings of Moriond Workshop XXXVI). Ed. Th. Martin et al, EDP Sciences, France. 23 (2001)
2. H.Ness and A.J. Fisher Mechanisms for electron transport in atomic-scale one-dimensional wires: soliton and polaron effects. Europhys. Lett. 57 885-891 (2002); see also cond-mat/0201276
3. H. Ness and A.J. Fisher Coherent electron injection and transport in molecular wires: inelastic tunneling and electron-phonon interactions. Chemical Physics 281 279-292 (2002)
4. S. Tomic, E.P. O'Reilly, P.J. Klar, H. Grüning, W. Heimbrodt, W.M. Chen and I.A. Buyanova, The influence of conduction-band nonparabolicity on electron confinement and effective mass in Ga(N,As)/GaAs quantum wells, Physical Review B, 69, (2004) 245305
5. S. Tomic, E.P. O'Reilly, Influence of confinement energy and band-anti-crossing effect on the electron effective mass in GaInNAs quantum wells, Physical Review B, 71, (2005) 233301
6. S. Tomic, P. Howe, N.M. Harrison, and T.S. Jones, Theoretical analysis of strain and strain-decay in InAs/GaAs(001) multilayer quantum dot growth, Journal of Applied Phyisics, 99, (2006) 093522
7. S. Tomic, Electronic structure of InGaAsN/GaAs(N) quantum dots by 10-band kp theory, Physical Review B, 73, (2006) 125348
8. S. Tomic, A.G. Sunderland, and I.J. Bush, Parallel multi-band kp code for electronic structure of zinc-blend semiconductor quantum dots, Journal of Materials Chemistry, 16, (2006) 1963-1972 (Special Issue)
9. S. Tomic, Optical properties of dilute nitrogen GaInNAs quantum dots, Applied Physics Letters, 90, (2007) 121115
10. S. Tomic, T.S. Jones, N.M. Harrison, Absorption Characteristics of a Quantum Dot Array Induced Intermediate Band: Implications for Solar Cell Design, Applied Physics Letters 93, (2008) 263105
11. N. Vukmirovic and S. Tomic, Plane wave methodology for single quantum dot electronic structure calculations, Journal of Applied Physics, 103, (2008) 103718
12. S. Tomic, N.M. Harrison, T.S. Jones, Electronic structure of QD arrays: Application to intermediate-band solar cells, Optical and Quantum Electronics, 40, (2008) 313

LEED

1. R.A.Fellows, A. R. Lennie, D.J. Vaughan and G. Thornton, A LEED study
2. E.A.Soares, C.Bitencourt, V.B.Nascimento,V.E. de Carvalho, C.M.C. de Castilho, C.F.McConville, A.V. de Carvalho and D.P. Woodruff, Structure Determination of Ag(111)(sqrt3xsqrt3)R30-Sb by Low Energy Electron Diffraction, EPhys.Rev.B 61 (2000) 13983-13987
3. A. Wander A new modular low energy electron diffraction package - DL_LEED Computer Physics Communications 137 4 (2001)
4. P.D. Quinn, C. Bittencourt, D. P. Woodruff, Tensor LEED analysis of the Ni(111)(3x3)R30-Pb surface EPhys.Rev.B 65 (2002) 233404
5. C.Bittencourt, E.A.Soares and D.P.Woodruff, Low energy electron diffraction structure determination of the Ni(110)c(2x2)-CN surface phase ESurf. Sci. 526 (2003) 33-43
6. E.A. Soares, C. Bittencourt, E. L. Lopes, V. E. de Carvalho and D.P.Woodruff LEED structure determination of the Ni(111)(sqrt3xsqrt3)R30-Sn surface ESurf. Sci. 550 (2004) 127-132
7. R. Lindsay, A. Wander, A. Ernst, B. Montanari, G. Thornton and N.M. Harrison Revisiting the surface structure of TiO2(110): A quantitative low energy electron diffraction study Physical Review Letters 94 (2005) 246102
8. R. Lindsay, S. Tomic, A. Wander, M. Garcia-Mendez, and G. Thornton, A low energy electron diffraction study of TiO2(110)(2x1)-[HCOO], Journal of Physical Chemistry C, 112, (2008) 14154